DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL352402_dpp4

Atoms: 252
Models: 9
Best Energy: -7.37 kcal/mol

Binding Energies:
  • Pose 1: -7.37 kcal/mol
  • Pose 2: -7.188 kcal/mol
  • Pose 3: -7.177 kcal/mol
  • Pose 4: -7.173 kcal/mol
  • Pose 5: -7.112 kcal/mol
  • Pose 6: -7.048 kcal/mol
  • Pose 7: -6.969 kcal/mol
  • Pose 8: -6.89 kcal/mol
  • Pose 9: -6.834 kcal/mol
CHEMBL352402_dpp4
Energy Plot
RMSD Scatter Plot